BDBM50180197 (2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrothiophene-2-carboxamide::(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrothiophene-2-carboxamide::CHEMBL200732

SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12

InChI Key InChIKey=IRIUFVPPSHYZRM-PFHKOEEOSA-N

Data  27 KI  4 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50180197   

TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Sahmyook University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataEC50:  4.64E+3nMAssay Description:Competitive binding affinity to GST-tagged human PPARgamma LBD incubated for 1 to 6 hrs by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Sahmyook University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataEC50:  1.67E+4nMAssay Description:Antagonist activity at PPARdelta LBD (unknown origin) assessed as increase in recruitment of SMRT ID2 corepressor peptide by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Sahmyook University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataEC50:  41nMAssay Description:Competitive binding affinity to GST-tagged human PPARdelta LBD incubated for 1 to 6 hrs by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Sahmyook University

Curated by ChEMBL
LigandPNGBDBM50180197((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)
Affinity DataEC50:  1.07E+4nMAssay Description:Antagonist at PPARdelta LBD (unknown origin) assessed as increase in recruitment of coactivator peptide C33 cotreated with PPARdelta agonist GW501516...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed